SCHEMBL25048880

SCHEMBL25048880

CC(=O)N1CCC(c2cn([C@@H]3C[C@H](CNCCCNCCc4ccccc4)[C@@H](O)[C@H]3O)c3ncnc(N)c23)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 16/20 0.47
▸ CA2 P00918 2/20 0.40
▸ PRMT5 O14744 3/20 0.39
▸ RET P07949 1/20 0.38
▸ KIF5B P33176 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30940806 1.00 METTL3 (0.47) METTL3CA2PRMT5RETKIF5B
SCHEMBL25048887 0.91 METTL3 (0.49) METTL3CA2PRMT5WDR77
SCHEMBL30941129 0.91 METTL3 (0.49) METTL3CA2PRMT5WDR77
SCHEMBL30940999 0.91 METTL3 (0.52) METTL3CA2PRMT5
SCHEMBL25046807 0.91 METTL3 (0.52) METTL3CA2PRMT5
SCHEMBL25048000 0.89 METTL3 (0.44) METTL3PRMT5RETKIF5B
SCHEMBL30941705 0.88 METTL3 (0.57) METTL3CA2PRMT5
SCHEMBL25048886 0.88 METTL3 (0.57) METTL3CA2PRMT5
SCHEMBL25048002 0.86 RET (0.42) RETKIF5B
SCHEMBL25048822 0.84 METTL3 (0.49) METTL3CA2PRMT5WDR77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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